2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide

C18H31NO3 — CID 144518502

IUPAC2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide
SMILESC=C1CC(CC(=O)NCC2CCC(C)(C)CO2)OC(C)C1C
InChIInChI=1S/C18H31NO3/c1-12-8-16(22-14(3)13(12)2)9-17(20)19-10-15-6-7-18(4,5)11-21-15/h13-16H,1,6-11H2,2-5H3,(H,19,20)
InChIKeyBQLJOKSLNPSFBM-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.07
Rot. Bonds4

About 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide

2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide (PubChem CID 144518502) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide
PubChem CID144518502
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide
SMILESC=C1CC(CC(=O)NCC2CCC(C)(C)CO2)OC(C)C1C
InChIInChI=1S/C18H31NO3/c1-12-8-16(22-14(3)13(12)2)9-17(20)19-10-15-6-7-18(4,5)11-21-15/h13-16H,1,6-11H2,2-5H3,(H,19,20)
InChIKeyBQLJOKSLNPSFBM-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide (CID 144518502) is 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide is C=C1CC(CC(=O)NCC2CCC(C)(C)CO2)OC(C)C1C.
What is the InChIKey of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide?
The InChIKey is BQLJOKSLNPSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-12-8-16(22-14(3)13(12)2)9-17(20)19-10-15-6-7-18(4,5)11-21-15/h13-16H,1,6-11H2,2-5H3,(H,19,20).
What are the key properties of 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide?
2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide has a molecular weight of 309.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-methylideneoxan-2-yl)-N-[(5,5-dimethyloxan-2-yl)methyl]acetamide is sourced from PubChem (CID 144518502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).